2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O5S/c1-15-6-8-20(13-17(15)3)32(30,31)25-11-9-24(10-12-25)18(4)22(27)23-19-7-5-16(2)21(14-19)26(28)29/h5-8,13-14,18H,9-12H2,1-4H3,(H,23,27)